Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent dopamine transporter' and Ligand = 'BDBM50267988'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50267988 ((+/-)-2-Chloro-6-([3-((1,1-dimethyl-2-[4-(methylox...) Show SMILES COc1ccc(CC(C)(C)NCC(O)COc2cccc(Cl)c2C#N)cc1 Show InChI InChI=1S/C21H25ClN2O3/c1-21(2,11-15-7-9-17(26-3)10-8-15)24-13-16(25)14-27-20-6-4-5-19(22)18(20)12-23/h4-10,16,24-25H,11,13-14H2,1-3H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to dopamine transporter				J Med Chem 52: 3982-93 (2009) Article DOI: 10.1021/jm900364m BindingDB Entry DOI: 10.7270/Q2M61K5X
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